From d87c92103c9c0a0f5523c1410d6fadc80c14fa73 Mon Sep 17 00:00:00 2001
From: David Prihoda <david.prihoda@msd.com>
Date: Sat, 4 Oct 2025 21:59:41 +0200
Subject: [PATCH] Add biotite-tools

---
 biotite-tools/1.4.0/Dockerfile | 28 ++++++++++++++++++++++++++++
 1 file changed, 28 insertions(+)
 create mode 100644 biotite-tools/1.4.0/Dockerfile

diff --git a/biotite-tools/1.4.0/Dockerfile b/biotite-tools/1.4.0/Dockerfile
new file mode 100644
index 00000000..b4e117a6
--- /dev/null
+++ b/biotite-tools/1.4.0/Dockerfile
@@ -0,0 +1,28 @@
+################## BASE IMAGE ######################
+
+FROM biocontainers/biocontainers:v1.0.0_cv4
+
+################## METADATA ######################
+
+LABEL base_image="biocontainers:v1.0.0_cv4"
+LABEL version="1"
+LABEL about.summary="Biotite and related structure analysis tools"
+LABEL software="Biotite"
+LABEL software.version="1.4.0"
+LABEL about.tags="Structural biology"
+LABEL about.home="https://www.biotite-python.org/"
+LABEL about.software="https://github.com/biotite-dev/biotite/archive/refs/tags/v1.4.0.tar.gz"
+LABEL about.documentation="https://www.biotite-python.org/"
+LABEL about.license="BSD-3-Clause"
+
+################## MAINTAINER ######################
+MAINTAINER David Prihoda <david.prihoda@gmail.com>
+
+RUN conda install -c conda-forge \
+    "biotite==1.4.0" \
+    "biopython>=1.85" \
+    "biopandas>=0.5.1" \
+    "scipy>=1.16.2" \
+    "fastcluster>=1.3.0" \
+    "einops>=0.8.1" \
+    && conda clean -a -y